5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide

C24H32ClN3O3 — CID 90151485

IUPAC5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)C1CCOCC1
InChIInChI=1S/C24H32ClN3O3/c1-6-28(19-7-9-31-10-8-19)22-13-18(25)12-20(17(22)4)23(29)26-14-21-15(2)11-16(3)27(5)24(21)30/h11-13,19H,6-10,14H2,1-5H3,(H,26,29)
InChIKeyZWVYIFCQFKXAMG-UHFFFAOYSA-N
MW445.99 g/mol
LogP3.90
Rot. Bonds6

About 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide

5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide (PubChem CID 90151485) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide
PubChem CID90151485
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC Name5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)C1CCOCC1
InChIInChI=1S/C24H32ClN3O3/c1-6-28(19-7-9-31-10-8-19)22-13-18(25)12-20(17(22)4)23(29)26-14-21-15(2)11-16(3)27(5)24(21)30/h11-13,19H,6-10,14H2,1-5H3,(H,26,29)
InChIKeyZWVYIFCQFKXAMG-UHFFFAOYSA-N
XLogP3.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide?
The IUPAC name of 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide (CID 90151485) is 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide is CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)C1CCOCC1.
What is the InChIKey of 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide?
The InChIKey is ZWVYIFCQFKXAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-6-28(19-7-9-31-10-8-19)22-13-18(25)12-20(17(22)4)23(29)26-14-21-15(2)11-16(3)27(5)24(21)30/h11-13,19H,6-10,14H2,1-5H3,(H,26,29).
What are the key properties of 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide?
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide has a molecular weight of 445.99 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 90151485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).